Vitas-M small molecule compound
4-[9-bromo-2-(5-methylthiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenyl 4-bromobenzoate
Catalog ID
STL069680
SMILES Brc1ccc2c(c1)C1CC(=NN1C(O2)c1ccc(cc1)OC(=O)c1ccc(cc1)Br)c1ccc(s1)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C28H20Br2N2O3S MW 624.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20Br2N2O3S/c1-16-2-13-26(36-16)23-15-24-22-14-20(30)9-12-25(22)35-27(32(24)31-23)17-5-10-21(11-6-17)34-28(33)18-3-7-19(29)8-4-18/h2-14,24,27H,15H2,1H3InChIKey
IAHACKZRSQYNDH-UHFFFAOYSA-NSynonyms
(4(9BROMO2(5METHYLTHIOPHEN2YL)510BDIHYDRO1HPYRAZOLO(15C)(13)BENZOXAZIN5YL)PHENYL)4BROMOBENZOATE
4(2BROMO9(5METHYL(2THIENYL))6H10AHBENZO(E)2PYRAZOLINO(15C)13OXAZIN6YL)PHENYL4BROMOBENZOATE
4(9bromo2(5methylthiophen2yl)110bdihydropyrazolo(15c)(13)benzoxazin5yl)phenyl4bromobenzoate
4(9bromo2(5methylthiophen2yl)510bdihydro1Hbenzo(e)pyrazolo(15c)(13)oxazin5yl)phenyl4bromobenzoate
CC1=CC=C(S1)C2=NN3C(C2)C4=C(C=CC(=C4)Br)OC3C5=CC=C(C=C5)OC(=O)C6=CC=C(C=C6)Br
InChI=1SC28H20Br2N2O3Sc11621326(3616)231524221420(30)91225(22)3527(32(24)3123)1751021(11617)3428(33)183719(29)8418h2142427H15H21H3
MFCD04078940
ZINC000150422367
ZINC000150658525
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